RAE and RRSE values for the regressions.

Different feature sets S1 to S9 were tested in the regression analysis, with the median PFS or evolved average PFS applied. S1 indicates the mutant-inhibitor interaction; S2 further brings in the mutant-ErbB-2 interaction; S3 focuses on both the mutant-IGF-1R and mutant-inhibitor interactions; and S4 includes both the mutant-c-Met and mutant-inhibitor interactions. S5 to S7 each includes the mutant-inhibitor interaction and two kinds of mutant-partner interactions, and S8 or S9 considers all the four kinds of interactions. Specifically, S1 to S8 apply the binding free energy components, while S9 only adopts the total binding free energy.RAE and RRSE values for the regressions.